2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

C17H11F2N5 — CID 162760988

IUPAC2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2ccnc3ccc(F)nc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11F2N5/c1-24-9-12(17(23-24)14-3-2-10(18)8-21-14)11-6-7-20-13-4-5-15(19)22-16(11)13/h2-9H,1H3
InChIKeyZUXLDIUTSXMJHH-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.37
Rot. Bonds2

About 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 162760988) has the molecular formula C17H11F2N5 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID162760988
Molecular FormulaC17H11F2N5
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2ccnc3ccc(F)nc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11F2N5/c1-24-9-12(17(23-24)14-3-2-10(18)8-21-14)11-6-7-20-13-4-5-15(19)22-16(11)13/h2-9H,1H3
InChIKeyZUXLDIUTSXMJHH-UHFFFAOYSA-N
XLogP3.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 162760988) is 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2ccnc3ccc(F)nc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is ZUXLDIUTSXMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5/c1-24-9-12(17(23-24)14-3-2-10(18)8-21-14)11-6-7-20-13-4-5-15(19)22-16(11)13/h2-9H,1H3.
What are the key properties of 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 323.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 162760988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).